SCHEMBL8702953

SCHEMBL8702953

O=C(O)c1ccccc1CCc1ccccc1CCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.63
ALDH1A1 P00352 7/20 0.62
ADRB2 P07550 1/20 0.62
LMNA P02545 2/20 0.58
KDM4E B2RXH2 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HTT P42858 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 2/20 0.53
ALOX15 P16050 1/20 0.50
SCN1A P35498 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
MEN1 O00255 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL166927 0.98 FOLH1 (0.66) FOLH1ALDH1A1ADRB2LMNAKDM4E
SCHEMBL29975597 0.98 FOLH1 (0.66) FOLH1ALDH1A1ADRB2LMNAKDM4E
Hydrochloric Acid SCHEMBL7699238 0.96 FOLH1 (0.63) FOLH1ALDH1A1ADRB2LMNAKDM4E
SCHEMBL8698803 0.94 FOLH1 (0.58) FOLH1ALDH1A1ADRB2LMNAKDM4E
SCHEMBL70392 0.89 FOLH1 (0.76) FOLH1ALDH1A1ADRB2KDM4ESMN1; SMN2
SCHEMBL30365583 0.89 FOLH1 (0.76) FOLH1ALDH1A1ADRB2KDM4ESMN1; SMN2
SCHEMBL7764255 0.87 TSHR (0.72) FOLH1ALDH1A1ADRB2LMNAHTT
SCHEMBL20162476 0.86 FOLH1 (0.61) FOLH1ALDH1A1ADRB2SMN1; SMN2MAPT
SCHEMBL11710027 0.86 FOLH1 (0.61) FOLH1ALDH1A1ADRB2SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL8327538 0.86 KMT2A (0.56) FOLH1ALDH1A1ADRB2LMNAKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5834468-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, ANALGESICS TREATING RHEUMATIC DISEASE, BONE DISORDER, INJURIES ZENECA LIMITED (GB) 1998-11-10 US disclosed